1C3R

CRYSTAL STRUCTURE OF AN HDAC HOMOLOG COMPLEXED WITH TRICHOSTATIN A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	103
Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS IV
Spacegroup name	P 21 21 21
Unit cell lengths	53.400, 94.400, 156.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.224
Rwork	0.224
R-free	0.25800
RMSD bond length	0.008 *
RMSD bond angle	1.780 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.000
Rmerge	0.071
Total number of observations	180427 *
Number of reflections	50796 *
Completeness [%]	93.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.8 *		microseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	tert-butanol	23 (%)
2	1	reservoir	PEG1500	27 (%)
3	1	reservoir		600 (mM)
4	1	reservoir	bis-tris-propane-Cl	100 (mM)